Geometry & MOs

Info

ID:	57215
PubChem CID:	22395492
Reduced:	N3Na5O10C14H28 (1)
Stoich.:	A3B5C10D14E28 (1)
Weight, g/mol:	190.075881
ΔH_f, kcal/mol:	-808.32
Dipole, Da:	1.54
IP(EA), eV:	-9.14(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-2,5-dimethylhexa-1,5-dienyl]phosphonic acid

Drug info:

PubChemData

Smile

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.[Na+].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations